ethyl 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidinyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2CCN(CC2)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C2CCN(CC2)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N4O3/c1-2-28-22(27)18-8-14-26(15-9-18)19-10-12-25(13-11-19)16-20-23-21(24-29-20)17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3/p+1